#!/bin/bash
# Script to run vasp

# Get the number of processors, by default, 1
if [ "$#" -ge 1 ]; then
   np=$1
else
   np=4
fi

# Run vasp
mpirun --allow-run-as-root -np ${np} vasp

# Uncomment to clean up
#rm -rf CHG CONTCAR EIGENVAL IBZKPT OSZICAR PBS.batch PCDAT vasprun.xml XDATCAR WAVECAR REPORT
